Showing NP-Card for Viridicatumtoxin F (NP0331319)
Record Information | ||||||||||||||||
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Version | 1.0 | |||||||||||||||
Created at | 2022-12-22 17:02:52 UTC | |||||||||||||||
Updated at | 2024-04-19 09:37:16 UTC | |||||||||||||||
NP-MRD ID | NP0331319 | |||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||
Natural Product Identification | ||||||||||||||||
Common Name | Viridicatumtoxin F | |||||||||||||||
Description | Not Available | |||||||||||||||
Structure | MOL for NP0331319 (Viridicatumtoxin F)Mrv1652312222218022D 43 48 0 0 1 0 999 V2000 4.8210 -0.2192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2672 0.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 1.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2727 1.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1842 2.3356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3768 2.5049 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5528 2.5458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0391 3.2576 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3564 2.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4163 1.9716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6139 3.1540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8391 3.4594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0643 4.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4895 4.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7147 5.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1400 6.2305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5147 5.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6896 4.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1148 5.2350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4644 3.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8642 4.4549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9883 1.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9663 1.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1598 1.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9070 0.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4607 0.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9110 -0.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2998 -1.3264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0860 -0.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6715 0.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8465 0.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 -0.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8249 1.6118 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2133 1.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8648 0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6215 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 1.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 2.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8658 2.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6511 2.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2627 2.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4910 2.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 6 0 0 0 6 8 1 1 0 0 0 8 9 1 1 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 8 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 14 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 8 20 1 0 0 0 0 13 21 2 0 0 0 0 4 22 2 0 0 0 0 3 23 1 0 0 0 0 6 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 2 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 30 33 2 0 0 0 0 25 33 1 0 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 34 41 1 0 0 0 0 41 42 1 0 0 0 0 34 43 1 0 0 0 0 24 43 1 0 0 0 0 M END 3D SDF for NP0331319 (Viridicatumtoxin F)Mrv1652312222218022D 43 48 0 0 1 0 999 V2000 4.8210 -0.2192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2672 0.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 1.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2727 1.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1842 2.3356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3768 2.5049 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5528 2.5458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0391 3.2576 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3564 2.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4163 1.9716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6139 3.1540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8391 3.4594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0643 4.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4895 4.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7147 5.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1400 6.2305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5147 5.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6896 4.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1148 5.2350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4644 3.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8642 4.4549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9883 1.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9663 1.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1598 1.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9070 0.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4607 0.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9110 -0.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2998 -1.3264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0860 -0.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6715 0.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8465 0.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 -0.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8249 1.6118 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2133 1.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8648 0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6215 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 1.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 2.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8658 2.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6511 2.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2627 2.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4910 2.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 6 0 0 0 6 8 1 1 0 0 0 8 9 1 1 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 8 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 14 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 8 20 1 0 0 0 0 13 21 2 0 0 0 0 4 22 2 0 0 0 0 3 23 1 0 0 0 0 6 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 2 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 30 33 2 0 0 0 0 25 33 1 0 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 34 41 1 0 0 0 0 41 42 1 0 0 0 0 34 43 1 0 0 0 0 24 43 1 0 0 0 0 M END > <DATABASE_ID> NP0331319 > <DATABASE_NAME> NP-MRD > <SMILES> [H][C@@]1(OC(=O)C2=C(O)C3=C4C(C[C@@]5(C4=C(OC)C=C3O)C(C)=CCCC5(C)C)=C12)[C@@]1(CC(O)=C(C(N)=O)C(=O)O1)C(O)=O > <INCHI_IDENTIFIER> InChI=1S/C30H29NO11/c1-11-6-5-7-28(2,3)29(11)9-12-16-18(13(32)8-15(40-4)21(16)29)22(34)20-17(12)23(41-25(20)36)30(27(38)39)10-14(33)19(24(31)35)26(37)42-30/h6,8,23,32-34H,5,7,9-10H2,1-4H3,(H2,31,35)(H,38,39)/t23-,29-,30-/m0/s1 > <INCHI_KEY> ZVNXNMBPKAOPOA-HDXYBINASA-N > <FORMULA> C30H29NO11 > <MOLECULAR_WEIGHT> 579.558 > <EXACT_MASS> 579.174060758 $$$$ PDB for NP0331319 (Viridicatumtoxin F)HEADER PROTEIN 22-DEC-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 22-DEC-22 0 HETATM 1 O UNK 0 8.999 -0.409 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 7.965 0.732 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 8.437 2.198 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 9.842 2.829 0.000 0.00 0.00 C+0 HETATM 5 O UNK 0 9.677 4.360 0.000 0.00 0.00 O+0 HETATM 6 C UNK 0 8.170 4.676 0.000 0.00 0.00 C+0 HETATM 7 H UNK 0 6.632 4.752 0.000 0.00 0.00 H+0 HETATM 8 C UNK 0 7.540 6.081 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 6.265 5.216 0.000 0.00 0.00 C+0 HETATM 10 O UNK 0 6.377 3.680 0.000 0.00 0.00 O+0 HETATM 11 O UNK 0 4.879 5.887 0.000 0.00 0.00 O+0 HETATM 12 O UNK 0 9.033 6.458 0.000 0.00 0.00 O+0 HETATM 13 C UNK 0 9.453 7.939 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 8.380 9.044 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 8.801 10.525 0.000 0.00 0.00 C+0 HETATM 16 N UNK 0 7.728 11.630 0.000 0.00 0.00 N+0 HETATM 17 O UNK 0 10.294 10.902 0.000 0.00 0.00 O+0 HETATM 18 C UNK 0 6.887 8.667 0.000 0.00 0.00 C+0 HETATM 19 O UNK 0 5.814 9.772 0.000 0.00 0.00 O+0 HETATM 20 C UNK 0 6.467 7.186 0.000 0.00 0.00 C+0 HETATM 21 O UNK 0 10.946 8.316 0.000 0.00 0.00 O+0 HETATM 22 O UNK 0 11.178 2.062 0.000 0.00 0.00 O+0 HETATM 23 C UNK 0 7.404 3.340 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 5.898 3.016 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 5.426 1.550 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 6.460 0.408 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 5.434 -1.118 0.000 0.00 0.00 C+0 HETATM 28 O UNK 0 6.160 -2.476 0.000 0.00 0.00 O+0 HETATM 29 C UNK 0 3.894 -1.122 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 3.120 0.210 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 1.580 0.205 0.000 0.00 0.00 O+0 HETATM 32 C UNK 0 0.814 -1.131 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 3.886 1.545 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 3.406 3.009 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 2.265 1.975 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 3.481 1.030 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 1.160 0.902 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 0.799 2.447 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 0.475 3.952 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 1.616 4.986 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 3.082 4.514 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 4.224 5.548 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 4.650 3.917 0.000 0.00 0.00 C+0 CONECT 1 2 CONECT 2 1 3 26 CONECT 3 2 4 23 CONECT 4 3 5 22 CONECT 5 4 6 CONECT 6 5 7 8 23 CONECT 7 6 CONECT 8 6 9 12 20 CONECT 9 8 10 11 CONECT 10 9 CONECT 11 9 CONECT 12 8 13 CONECT 13 12 14 21 CONECT 14 13 15 18 CONECT 15 14 16 17 CONECT 16 15 CONECT 17 15 CONECT 18 14 19 20 CONECT 19 18 CONECT 20 18 8 CONECT 21 13 CONECT 22 4 CONECT 23 3 6 24 CONECT 24 23 25 43 CONECT 25 24 26 33 CONECT 26 25 2 27 CONECT 27 26 28 29 CONECT 28 27 CONECT 29 27 30 CONECT 30 29 31 33 CONECT 31 30 32 CONECT 32 31 CONECT 33 30 25 34 CONECT 34 33 35 41 43 CONECT 35 34 36 37 38 CONECT 36 35 CONECT 37 35 CONECT 38 35 39 CONECT 39 38 40 CONECT 40 39 41 CONECT 41 40 34 42 CONECT 42 41 CONECT 43 34 24 MASTER 0 0 0 0 0 0 0 0 43 0 96 0 END SMILES for NP0331319 (Viridicatumtoxin F)[H][C@@]1(OC(=O)C2=C(O)C3=C4C(C[C@@]5(C4=C(OC)C=C3O)C(C)=CCCC5(C)C)=C12)[C@@]1(CC(O)=C(C(N)=O)C(=O)O1)C(O)=O INCHI for NP0331319 (Viridicatumtoxin F)InChI=1S/C30H29NO11/c1-11-6-5-7-28(2,3)29(11)9-12-16-18(13(32)8-15(40-4)21(16)29)22(34)20-17(12)23(41-25(20)36)30(27(38)39)10-14(33)19(24(31)35)26(37)42-30/h6,8,23,32-34H,5,7,9-10H2,1-4H3,(H2,31,35)(H,38,39)/t23-,29-,30-/m0/s1 3D Structure for NP0331319 (Viridicatumtoxin F) | |||||||||||||||
Synonyms | Not Available | |||||||||||||||
Chemical Formula | C30H29NO11 | |||||||||||||||
Average Mass | 579.5580 Da | |||||||||||||||
Monoisotopic Mass | 579.17406 Da | |||||||||||||||
IUPAC Name | Not Available | |||||||||||||||
Traditional Name | Not Available | |||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||
SMILES | [H][C@@]1(OC(=O)C2=C(O)C3=C4C(C[C@@]5(C4=C(OC)C=C3O)C(C)=CCCC5(C)C)=C12)[C@@]1(CC(O)=C(C(N)=O)C(=O)O1)C(O)=O | |||||||||||||||
InChI Identifier | InChI=1S/C30H29NO11/c1-11-6-5-7-28(2,3)29(11)9-12-16-18(13(32)8-15(40-4)21(16)29)22(34)20-17(12)23(41-25(20)36)30(27(38)39)10-14(33)19(24(31)35)26(37)42-30/h6,8,23,32-34H,5,7,9-10H2,1-4H3,(H2,31,35)(H,38,39)/t23-,29-,30-/m0/s1 | |||||||||||||||
InChI Key | ZVNXNMBPKAOPOA-HDXYBINASA-N | |||||||||||||||
Experimental Spectra | ||||||||||||||||
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Predicted Spectra | ||||||||||||||||
Not Available | ||||||||||||||||
Chemical Shift Submissions | ||||||||||||||||
Not Available | ||||||||||||||||
Species | ||||||||||||||||
Species of Origin | Not Available | |||||||||||||||
Chemical Taxonomy | ||||||||||||||||
Classification | Not classified | |||||||||||||||
Physical Properties | ||||||||||||||||
State | Not Available | |||||||||||||||
Experimental Properties |
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Predicted Properties |
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External Links | ||||||||||||||||
External Links | Not Available | |||||||||||||||
References | ||||||||||||||||
General References | Not Available |